AG003H95

142994-04-5 | 2-Fluoro-4-(methylsulfonyl)benzoic acid

AG003H95

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	142994-04-5
Catalog Number	AG003H95(AGN-PC-05CKDW)
Chemical Name	2-Fluoro-4-(methylsulfonyl)benzoic acid
IUPAC Name	2-fluoro-4-methylsulfonylbenzoic acid
InChI	InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key	WAIWHRUQKRUWAH-UHFFFAOYSA-N
MDL Number	MFCD11615492
Molecular Formula	C8H7FO4S
Molecular Weight	218.2022
SMILES	CS(C1=CC(F)=C(C(O)=O)C=C1)(=O)=O
Synonyms	2-FLUORO-4-(METHYLSULFONYL)BENZOIC ACID, 142994-04-5, Benzoic acid, 2-fluoro-4-(methylsulfonyl)-, 2-Fluoro-4-(methanesulfonyl)benzoic acid, SCHEMBL4412567, CTK8E1746, KS-00000CIP, DTXSID90651323, WAIWHRUQKRUWAH-UHFFFAOYSA-N, MFCD11615492, ZINC19789056, 2-fluoro-4-methanesulfonylbenzoic acid, 2-fluoro-4-methylsulphonylbenzoic acid, AKOS022183554, 2-Fluoro-4-(methylsulfonyl)benzoicAcid, FCH1405510, TRA0055584, AJ-74951, AS-31879, PC501372, SY006328, AX8173813, DB-014650, TC-307099, FT-0727628, V3233, K-4585, MFCD11615492 (97+%), C8H7FO4S, 887974-41-6,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.005g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.198g/mol
Monoisotopic Mass	218.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number